Chemical ID: 5788653

c1ccc(cc1)COC(=O)NC(C=O)C(C(C(CO)O)O)O
Chemical ID:
5788653
Name [?]:
benzyl (1-formyl-2,3,4,5-tetrahydroxy-pentyl)aminoformate
SMILES [?]:
c1ccc(cc1)COC(=O)NC(C=O)C(C(C(CO)O)O)O
InChi [?]:
InChI=1/C14H19NO7/c16-6-10(12(19)13(20)11(18)7-17)15-14(21)22-8-9-4-2-1-3-5-9/h1-6,10-13,17-20H,7-8H2,(H,15,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,18,7,4,12,17,15,16,9,11,14,19,20,22,21,10,8/E:(2,3)(4,5)/rA:22cCCCCCCCOCONCCOCCCCOOOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s12;s15;s16;s17;s18;s17;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19NO7
All Atoms:22
Heavy Atoms:22
Chiral Atoms:4
ZAP Information [?]
Total:4.35869
Area:530.348
Solvation:-8.90002
Coulombic:-105.709
Bond Count [?]
All:22
Single:17
Double:5
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:313.303
H-Bond Donors:5
H-Bond Acceptors:8
XLogP:-1.23
LogP (Chemaxon):-0.62

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue